(8E,10E)-dodeca-8,10-dienyl acetate (CED0120678)

Record Information

Version

1.0

Creation Date

2026-04-05 03:10:01 UTC

Update Date

2026-04-05 03:10:01 UTC

SynCED ID

CED0120678

Secondary Accession Numbers

CHEM090973

Identification

Common Name

(8E,10E)-dodeca-8,10-dienyl acetate

Class

Small Molecule

Description

(8E,10E)-dodeca-8,10-dienyl acetate belongs to the fatty alcohol esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C14H24O2 and an average molecular weight of 224.34 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₂₄O₂

Average Molecular Mass

224.344 g/mol

Monoisotopic Mass

224.178 g/mol

CAS Registry Number

53880-51-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC=CC=CCCCCCCCOC(C)=O

InChI Identifier

InChI=1/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-6H,7-13H2,1-2H3

InChI Key

NTKDSWPSEFZZOZ-VNKDHWASSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
5234.0 Log mg/kg [2900:9300]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000597	Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 0.319 Statistical Significance 0.0178 Supporting Reference Compounds 192 E-value 138.338
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.295 Applicability Domain 0.308 Statistical Significance 0.0164 Supporting Reference Compounds 127 E-value 127.906
Click to view 3D structure	Peroxisome proliferator-activated receptor delta	Q03181	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.308 Statistical Significance 0.0125 Supporting Reference Compounds 89 E-value 97.3894
Click to view 3D structure	Cannabinoid receptor 1	P21554	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.333 Statistical Significance 0.0301 Supporting Reference Compounds 200 E-value 234.482
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.333 Statistical Significance 0.024 Supporting Reference Compounds 175 E-value 186.838
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.279 Low confidence Statistical Significance 6.20e-04 Supporting Reference Compounds 1 E-value 4.82665
Click to view 3D structure	Cannabinoid receptor 1	P47746	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.326 Statistical Significance 0.0043 Supporting Reference Compounds 42 E-value 33.3973
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 2	Q9WUD2	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.308 Statistical Significance 0.0033 Supporting Reference Compounds 21 E-value 25.3788
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.341 Statistical Significance 0.0024 Supporting Reference Compounds 21 E-value 18.8395
Click to view 3D structure	Transient receptor potential cation channel subfamily V member 1	Q8NER1	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.333 Statistical Significance 0.0233 Supporting Reference Compounds 104 E-value 181.155
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.308 Statistical Significance 0.0126 Supporting Reference Compounds 83 E-value 98.0122
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.264 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.4318
Click to view 3D structure	Cannabinoid receptor 2	P47936	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.326 Statistical Significance 0.0089 Supporting Reference Compounds 39 E-value 69.5194
Click to view 3D structure	Lysophosphatidic acid receptor 2	Q9HBW0	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.341 Statistical Significance 0.0022 Supporting Reference Compounds 30 E-value 17.049
Click to view 3D structure	Lysophosphatidic acid receptor 1	Q92633	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.341 Statistical Significance 0.0034 Supporting Reference Compounds 31 E-value 26.7023
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.28 Low confidence Statistical Significance 0.0391 Supporting Reference Compounds 102 E-value 304.546
Click to view 3D structure	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.256 Low confidence Statistical Significance 5.70e-04 Supporting Reference Compounds 1 E-value 4.43741
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.308 Statistical Significance 0.0756 Supporting Reference Compounds 106 E-value 588.384
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.343 Statistical Significance 0.1766 Supporting Reference Compounds 385 E-value 1375.21
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.343 Statistical Significance 0.1402 Supporting Reference Compounds 310 E-value 1091.52
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.343 Statistical Significance 0.1781 Supporting Reference Compounds 373 E-value 1386.65
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.343 Statistical Significance 0.1462 Supporting Reference Compounds 266 E-value 1138.0
Click to view 3D structure	Mu-type opioid receptor	P42866	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.326 Statistical Significance 0.0669 Supporting Reference Compounds 107 E-value 520.811
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.271 Low confidence Statistical Significance 0.0026 Supporting Reference Compounds 10 E-value 20.3965
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.308 Statistical Significance 0.0997 Supporting Reference Compounds 197 E-value 776.157